| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:28 UTC |
|---|
| Update Date | 2025-03-25 00:59:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236661 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H14O6 |
|---|
| Molecular Mass | 314.079 |
|---|
| SMILES | COc1cc(C(=O)O)cc2c1OCC(c1ccc(O)cc1)C2=O |
|---|
| InChI Key | ZFUMTPDFHVLXRU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | o-methylated isoflavonoids |
|---|
| Direct Parent | 8-o-methylated isoflavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzene and substituted derivativescarboxylic acidschromoneshydrocarbon derivativesisoflavanolsisoflavanonesm-methoxybenzoic acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoid8-methoxyisoflavonoid-skeletonalkyl aryl ethercarboxylic acid derivativeisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanem-methoxybenzoic acid or derivativesorganoheterocyclic compoundisoflavanbenzopyranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
